2215-21-6

3,5-二異丙基鄰羥基苯甲酸(2215-21-6)核磁圖(¹HNMR)

產(chǎn)品名稱:3,5-二異丙基鄰羥基苯甲酸

CAS:2215-21-6

分子式:C13H18O3

分子量: 222.28

InChI:InChI=1S/C13H18O3/c1-7(2)9-5-10(8(3)4)12(14)11(6-9)13(15)16/h5-8,14H,1-4H3,(H,15,16)

InChIKey: XUFUYOGWFZSHGE-UHFFFAOYSA-N

Smiles:C(O)(=O)C1=CC(C(C)C)=CC(C(C)C)=C1O

Mass

MS-NW-9695          
3,5-diisopropylsalicylic acid
C13H18O3            (Mass of molecular ion:    222)

   Source Temperature: 150 °C
   Sample Temperature: 110 °C
   Direct, 75 eV

      39.0       1.4
      41.0       2.4
      43.0       1.5
      51.0       1.3
      53.0       1.2
      55.0       2.2
      65.0       2.0
      77.0       3.9
      78.0       1.2
      79.0       2.6
      80.0       1.6
      87.0       5.3
      89.0       1.5
      91.0       9.8
      92.0       1.2
      93.0       1.7
      96.0       2.4
     103.0       2.8
     105.0       5.9
     107.0       1.7
     115.0       7.1
     116.0       2.7
     117.0       6.2
     118.0       2.3
     119.0       2.8
     121.0       1.1
     127.0       1.3
     128.0       3.8
     129.0       1.5
     131.0       2.9
     132.0       1.3
     133.0       3.9
     134.0       1.1
     143.0       4.4
     144.0       1.0
     145.0       2.7
     146.0       3.2
     147.0       3.0
     148.0       5.9
     158.0       1.4
     159.0       1.3
     160.0       2.9
     161.0      71.0
     162.0       9.4
     163.0       2.2
     173.0       2.0
     175.0       3.8
     176.0      63.1
     177.0       8.8
     178.0       1.0
     187.0      10.0
     188.0       2.5
     189.0      95.0
     190.0      12.8
     191.0       1.3
     203.0       9.1
     204.0     100.0
     205.0      16.1
     206.0       2.0
     207.0      18.2
     208.0       2.6
     221.0       1.1
     222.0      69.7
     223.0      10.3
     224.0       1.1

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₃ H₁₈ O₃	0.034 g : 0.5 ml CDCl₃
3,5-diisopropylsalicylic acid

    Assign.     Shift(ppm)

      A            10.6
      B             7.640
      C             7.334
      D             3.370
      E             2.870
      F             1.258
      G             1.246

     Hz     ppm     Int.

   4222.17  10.565    164
   3055.03   7.645    124
   3054.67   7.644    125
   3052.65   7.639    134
   2932.31   7.338    118
   2929.93   7.332    117
   1354.33   3.389     46
   1347.37   3.372     63
   1340.41   3.354     49
   1154.50   2.889     45
   1147.54   2.872     62
   1140.76   2.855     47
    506.46   1.268    878
    501.69   1.256   1000
    499.49   1.250    973
    494.92   1.239    998

in CDCl3